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2145-31-5,MFCD00052929
Catalog No.:AA003I89
2145-31-5 | 3-(Trifluoromethyl)phenoxyacetonitrile
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Technical Information
Catalog Number:
AA003I89
Chemical Name:
3-(Trifluoromethyl)phenoxyacetonitrile
CAS Number:
2145-31-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00052929
IUPAC Name:
2-[3-(trifluoromethyl)phenoxy]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h1-3,6H,5H2
InChI Key:
UGZFDPFADQHEMW-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2145-31-5 
2-[3-(trifluoromethyl)phenoxy]acetonitrile 
trifluoromethylphenoxyacetonitrile 
CTK4E6826 
DTXSID20175729 
UGZFDPFADQHEMW-UHFFFAOYSA-N 
ZINC2169314 
7279AD 
SBB055439 
AKOS000212269 
MCULE-5312098801 
RP11747 
3-(Trifluoromethyl)phenoxyacetonitrile 
AJ-33969 
AN-50450 
DB-004618 
TR-010075 
FT-0613948 
ST50408085 
Acetonitrile,2-[3-(trifluoromethyl)phenoxy]- 
7C-024 
(3-TRIFLUOROMETHYL-PHENOXY)-ACETONITRILE 
145T315 
2-(3-(Trifluoromethyl)phenoxy)acetonitrile 
A815389 
J-505713 
I14-29488 
C9H6F3NO 
3- PHENOXYACETONITRILE 
CID137446 
ZINC02169314 
[3-(Trifluoromethyl)phenoxy]acetonitrile 
2-[3-(trifluoromethyl)phenoxy]ethanenitrile 
MFCD00052929 
ACMC-1CLZA 
AC1L3ALX 
SCHEMBL5666830 
Literature
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